SCHEMBL28595161

SCHEMBL28595161

CCCc1oc(Br)cc1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.42
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPK1 P28482 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
NR4A2 P43354 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28598339 0.88 MAOA (0.42) HSD17B10KMT2AHTTRXFP1MAPK1
SCHEMBL28592709 0.87 KMT2A (0.41) HSD17B10KMT2AHTTMAPK1MAPT
SCHEMBL1674226 0.83 KMT2A (0.41) HSD17B10KMT2AHTTMAPK1MAPT
SCHEMBL3095786 0.82 KMT2A (0.40) HSD17B10KMT2AHTTRXFP1MAPT
SCHEMBL3109691 0.81 HSD17B10 (0.38) HSD17B10KMT2AHTTMAPK1MAPT
SCHEMBL16564102 0.81 NPC1 (0.40) HSD17B10KMT2AHTTSMN1; SMN2MAPT
SCHEMBL3112985 0.79 KMT2A (0.38) HSD17B10KMT2AHTTMAPK1MAPT
SCHEMBL625321 0.75 KMT2A (0.45) HSD17B10KMT2AHTTMAPTKDM4E
SCHEMBL1598651 0.74 ALDH1A1 (0.46) HSD17B10KMT2AHTTMAPTKDM4E
SCHEMBL28601048 0.72 KMT2A (0.38) HSD17B10KMT2AHTTMAPK1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110305143-B Furan [2,3-c ] pyridine derivative and preparation method and application thereof 济南新科医药科技有限公司 2021-03-09 CN disclosed